methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C22H19ClN4O5 — CID 28867696

IUPACmethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3Cl)oc1C)c(=O)n2C
InChIInChI=1S/C22H19ClN4O5/c1-11-9-14(21(29)31-4)17-18(24-11)26(3)22(30)27(20(17)28)10-16-12(2)32-19(25-16)13-7-5-6-8-15(13)23/h5-9H,10H2,1-4H3
InChIKeyGKEWKPRZYUYUHQ-UHFFFAOYSA-N
MW454.87 g/mol
LogP2.86
Rot. Bonds4

About methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 28867696) has the molecular formula C22H19ClN4O5 and a molecular weight of 454.87 g/mol. Its IUPAC name is methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID28867696
Molecular FormulaC22H19ClN4O5
Molecular Weight454.87 g/mol
Exact Mass454.10
IUPAC Namemethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3Cl)oc1C)c(=O)n2C
InChIInChI=1S/C22H19ClN4O5/c1-11-9-14(21(29)31-4)17-18(24-11)26(3)22(30)27(20(17)28)10-16-12(2)32-19(25-16)13-7-5-6-8-15(13)23/h5-9H,10H2,1-4H3
InChIKeyGKEWKPRZYUYUHQ-UHFFFAOYSA-N
XLogP2.86
TPSA109.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812780
methyl 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250648
methyl 7-methyl-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250556
3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250495
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883217
methyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812724
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
methyl 1,7-dimethyl-2,4-dioxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812800
3-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116493
methyl 4-[(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 50812728
3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53097001
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575316

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 28867696) is methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3Cl)oc1C)c(=O)n2C.
What is the InChIKey of methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is GKEWKPRZYUYUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O5/c1-11-9-14(21(29)31-4)17-18(24-11)26(3)22(30)27(20(17)28)10-16-12(2)32-19(25-16)13-7-5-6-8-15(13)23/h5-9H,10H2,1-4H3.
What are the key properties of methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 454.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 28867696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).